[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone

C19H18F2N4O2S — CID 170502741

IUPAC[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone
SMILESCN(C)Cc1nc(C(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)cs1
InChIInChI=1S/C19H18F2N4O2S/c1-24(2)9-17-22-15(10-28-17)19(26)25-4-3-16-14(8-25)23-18(27-16)11-5-12(20)7-13(21)6-11/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyRJWQRYFQJQMIRF-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.34
Rot. Bonds4

About [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone

[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone (PubChem CID 170502741) has the molecular formula C19H18F2N4O2S and a molecular weight of 404.44 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone
PubChem CID170502741
Molecular FormulaC19H18F2N4O2S
Molecular Weight404.44 g/mol
Exact Mass404.11
IUPAC Name[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone
SMILESCN(C)Cc1nc(C(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)cs1
InChIInChI=1S/C19H18F2N4O2S/c1-24(2)9-17-22-15(10-28-17)19(26)25-4-3-16-14(8-25)23-18(27-16)11-5-12(20)7-13(21)6-11/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyRJWQRYFQJQMIRF-UHFFFAOYSA-N
XLogP3.34
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methylpyrimidin-5-yl)methanone
CID 170511487
2-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 170511501
(2S)-2-amino-1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one;hydrochloride
CID 171712383
[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(3-methyloxetan-3-yl)methanone
CID 170503538
4-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1-methylpyridin-2-one
CID 170509508
1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 169417933
(5-fluoro-2-pyridinyl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502779
(5R)-5-[2-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one
CID 170509420
[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyloxolan-2-yl)methanone
CID 169417311
1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone
CID 170507325
5-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-2-one
CID 169410849
[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 169414925

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone (CID 170502741) is [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone is CN(C)Cc1nc(C(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)cs1.
What is the InChIKey of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone?
The InChIKey is RJWQRYFQJQMIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2S/c1-24(2)9-17-22-15(10-28-17)19(26)25-4-3-16-14(8-25)23-18(27-16)11-5-12(20)7-13(21)6-11/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone?
[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone has a molecular weight of 404.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 170502741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).